SCHEMBL7948462

SCHEMBL7948462

O=C(O)c1cccc(N(Cc2cccnc2)c2ccc(O)c(O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.49
KMO O15229 1/20 0.48
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
DHODH Q02127 1/20 0.43
PDK1 Q15118 6/20 0.42
ALDH1A1 P00352 1/20 0.42
APP P05067 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4198518 0.87 GRM2 (0.47) GRM2KMOTSHRPDK1ALDH1A1
SCHEMBL8285824 0.84 GRM2 (0.46) GRM2KMOGAATSHRDHODH
SCHEMBL4190655 0.82 ALDH1A1 (0.50) GRM2KMOTSHRALDH1A1L3MBTL1
SCHEMBL4198704 0.82 GRM2 (0.44) GRM2KMOGAATSHRDHODH
SCHEMBL8285674 0.80 GRM2 (0.45) GRM2KMOGAATSHRDHODH
SCHEMBL2909823 0.80 MEP1B (0.49) GRM2KMOTSHRALDH1A1L3MBTL1
SCHEMBL1159028 0.80 GRM2 (0.44) GRM2KMOGAATSHRDHODH
SCHEMBL2910411 0.80 GRM2 (0.46) GRM2KMODHODHALDH1A1L3MBTL1
SCHEMBL2907011 0.80 GRM2 (0.46) GRM2KMOTSHRPDK1ALDH1A1
SCHEMBL2909726 0.79 GRM2 (0.46) GRM2KMOTSHRDHODHPDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed